ChemSpider 2D Image | 3-(Cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid | C22H16F3N5O2

3-(Cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid

  • Molecular FormulaC22H16F3N5O2
  • Average mass439.390 Da
  • Monoisotopic mass439.125610 Da
  • ChemSpider ID26326897

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(Cyclopropylamino)-5-{[3-(trifluormethyl)phenyl]amino}pyrimido[4,5-c]chinolin-8-carbonsäure [German] [ACD/IUPAC Name]
3-(Cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid [ACD/IUPAC Name]
Acide 3-(cyclopropylamino)-5-{[3-(trifluorométhyl)phényl]amino}pyrimido[4,5-c]quinoléine-8-carboxylique [French] [ACD/IUPAC Name]
Pyrimido[4,5-c]quinoline-8-carboxylic acid, 3-(cyclopropylamino)-5-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
FU9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 619.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.6±34.3 °C
Index of Refraction: 1.759
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 25.97
ACD/KOC (pH 5.5): 88.46
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 9.61
Polar Surface Area: 100 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement